(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide

C17H26N2O2 — CID 71457400

IUPAC(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)CCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(2)12-15(17(21)18-3)19-16(20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyVEPDXWLWVHAIMM-HNNXBMFYSA-N
MW290.41 g/mol
LogP2.29
Rot. Bonds8

About (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide

(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide (PubChem CID 71457400) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide.

Molecular Properties

Compound Name(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
PubChem CID71457400
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide
SMILESCNC(=O)[C@H](CC(C)C)NC(=O)CCCc1ccccc1
InChIInChI=1S/C17H26N2O2/c1-13(2)12-15(17(21)18-3)19-16(20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1
InChIKeyVEPDXWLWVHAIMM-HNNXBMFYSA-N
XLogP2.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-dimethyl-3-oxoheptan-4-yl)-4-phenylbutanamide
CID 169190270
2-(hexanoylamino)-4-methyl-N-(2-phenylethyl)pentanamide
CID 70967784
(2S)-2-[4-(1H-indol-3-yl)butanoylamino]-N,4-dimethylpentanamide
CID 52632899
N-[3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 91417454
4-methyl-2-(3-phenylpropanoylamino)pentanamide
CID 22574938
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
(2S)-2-[4-(1,3-dioxoisoindol-2-yl)butanoylamino]-4-methyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 70080497
(2S)-N-[(1S,2S)-1-hydroxy-3-methyl-1-(2-oxo-3-phenylcyclopropyl)butan-2-yl]-4-methyl-2-(4-phenylbutanoylamino)pentanamide
CID 56629694
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-methyl-4-[4-(4-phenylbutyl)phenyl]butanamide
CID 58974296
2-(5-aminohexanoylamino)-N,4-dimethylpentanamide
CID 82848725
(2S)-2-[[(2S)-2-[[(2S)-2-(4-iodobutanoylamino)-4-phenylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
CID 67478486

Frequently Asked Questions

What is the IUPAC name of (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide?
The IUPAC name of (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide (CID 71457400) is (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide.
What is the SMILES notation for (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide?
The canonical SMILES for (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide is CNC(=O)[C@H](CC(C)C)NC(=O)CCCc1ccccc1.
What is the InChIKey of (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide?
The InChIKey is VEPDXWLWVHAIMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)12-15(17(21)18-3)19-16(20)11-7-10-14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12H2,1-3H3,(H,18,21)(H,19,20)/t15-/m0/s1.
What are the key properties of (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide?
(2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide has a molecular weight of 290.41 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,4-dimethyl-2-(4-phenylbutanoylamino)pentanamide is sourced from PubChem (CID 71457400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).